Geometry & MOs

Info

ID:	208063
PubChem CID:	80487466
Reduced:	O2N6C9H10 (1)
Stoich.:	A2B6C9D10 (1)
Weight, g/mol:	195.148396
ΔH_f, kcal/mol:	86.38
Dipole, Da:	5.27
IP(EA), eV:	-8.72(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-cyclopropyl-1-(2-methylpropyl)-1,2,4-triazole-3,5-diamine

Drug info:

PubChemData

Smile

CNC1=NN(C(=N1)N)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations